Geometry & MOs

Info

ID:	216896
PubChem CID:	85086940
Reduced:	O2N4C11H15 (1)
Stoich.:	A2B4C11D15 (1)
Weight, g/mol:	312.032
ΔH_f, kcal/mol:	-12.85
Dipole, Da:	4.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758039
Charge, e:	0

Chem-info

IUPAC name:

5',11'-dichlorospiro[1,3-dioxolane-2,13'-tricyclo[7.3.1.02,7]trideca-2(7),3,5-triene]-10'-one

Drug info:

PubChemData

Smile

C=CCN1C=[N+](C2C1C(=O)NC(=O)N2)CC=C

DOS

IR

Vibrations